SCHEMBL7812964

SCHEMBL7812964

OCCN1CCN(c2cccc3ccc(OCc4nsc(-c5ccccc5)n4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
SLC6A9 P48067 1/20 0.46
HTR1A P08908 13/20 0.46
HTR1D P28221 8/20 0.46
HTR1B P28222 8/20 0.46
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 1/20 0.41
HTR6 P50406 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7816641 0.89 HTR1A (0.60) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7812942 0.81 SLC6A9 (0.69) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7803556 0.75 SLC6A9 (0.40) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL9287039 0.74 HTR1A (0.62) KCNH2HTR1AHTR1DHTR1BDRD2
Hydrochloric Acid SCHEMBL9639755 0.73 HTR1A (0.61) KCNH2HTR1AHTR1DHTR1BDRD2
SCHEMBL7808562 0.73 HTR1A (0.61) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7810094 0.72 HTR1A (0.60) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7812331 0.72 HTR1A (0.60) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL8176301 0.72 HTR1A (0.62) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL6312894 0.71 HTR1A (0.75) KCNH2SLC6A9HTR1AHTR1DHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767782-B1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER (US) 2001-10-31 EP disclosed
CN-1064350-C Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 2001-04-11 CN disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US disclosed
CN-1151729-A Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 1997-06-11 CN disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP disclosed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO disclosed